3209-0954 Screening compound: 5-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0954 Screening compound: 5-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0954 Screening compound: 5-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0954
5-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3209-0954

Molecular Formula

C19H20BrF3N4O2 (C19 H20 BrF3 N4 O2)

Compound Name

5-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn(C(CC(c(cc2)ccc2Br)N2)C(F)(F)F)c2c1)NCC1OCCC1

InChI

InChI=1S/C19H20BrF3N4O2/c20-12-5-3-11(4-6-12)14-8-16(19(21,22)23)27-17(25-14)9-15(26-27)18(28)24-10-13-2-1-7-29-13/h3-6,9,13-14,16,25H,1-2,7-8,10H2,(H,24,28)

InChI Key

LFFFJPMGQIDTBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-3.99

Polar Surface Area

60.834

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.40

3209-0954 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3209-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0954?
Check Price and Availability of 3209-0954, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3209-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0954
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3209-0954 available by request